(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-2α,5-ethano-2H-azocino[4,3-b]indole-6β-carboxylic acid methyl ester

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0418

CAS

3368-87-4

Product Name

(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-2α,5-ethano-2H-azocino[4,3-b]indole-6β-carboxylic acid methyl ester

Structure

Product Details

Description

19,20-(E)-Vallesamine is a natural alkaloid found in the leaves of Alstonia scholaris.

Synonyms

(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-2α,5-ethano-2H-azocino[4,3-b]indole-6β-carboxylic acid methyl ester

Molecular Weight

340.4

Molecular Formula

C20H24N2O3

Canonical SMILES

CC=C1CN2CCC1C(C3=C(C2)C4=CC=CC=C4N3)(CO)C(=O)OC

InChI

1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1

InChIKey

JZKSIYFJGCTTET-WBUQUAQWSA-N

Boiling Point

498.0±45.0°C (Predicted)

Melting Point

162-165°C

Purity

>96%

Density

1.29±0.1 g/cm3(Predicted)

Appearance

Powder

Color

Yellow

Form

Powder

pKa

14.80±0.10(Predicted)

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